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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for CBr2F2 (Methane, dibromodifluoro-)

BLYP/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3586 2496 A1 1090  
2 A 3439 2816 A1 623  
3 A 2802 2662 A1 140  
4 A 1757 1589 A1 168  
5 A 1531 1250 A2 281  
6 A 1365 212 B1 1153  
7 A 1225 856 B1 369  
8 A 1013 182 B2 831  
9 A 995 760 B2 235  
10 A 640        
11 A 546        
12 A 75        
The calculated vibrational frequencies were scaled by 1.0016

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.